CID 3059685

Brn 6011256

Structural Information

Molecular Formula
C19H19N5O4
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H19N5O4/c1-28-16-9-5-4-8-15(16)22-19(27)23-17(25)10-20-11-24-12-21-14-7-3-2-6-13(14)18(24)26/h2-9,12,20H,10-11H2,1H3,(H2,22,23,25,27)
InChIKey
BKBYSSNFCYTPEJ-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1437 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15098 186.2
[M+Na]+ 404.13292 191.7
[M-H]- 380.13642 191.2
[M+NH4]+ 399.17752 194.8
[M+K]+ 420.10686 187.8
[M+H-H2O]+ 364.14096 175.2
[M+HCOO]- 426.14190 208.3
[M+CH3COO]- 440.15755 225.2
[M+Na-2H]- 402.11837 192.7
[M]+ 381.14315 187.9
[M]- 381.14425 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.